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DocumentationIdentifier: MM41220
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM41220 |
| SMILES |
CCNCC(=O)CCC#N
|
| InChIKey |
OGPCCPKPMPOESR-UHFFFAOYSA-N
|
| MW [Da] |
140.19
Automatically obtained from RDkit software. |
| LogP |
0.47
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM156225
Similarity: 0.8462
Similarity to MM156225
| Tanimoto metric | 0.8462 |
|---|---|
| Cosine metric | 0.9199 |
| Dice metric | 0.9167 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM291748
Similarity: 0.766
Similarity to MM291748
| Tanimoto metric | 0.766 |
|---|---|
| Cosine metric | 0.8715 |
| Dice metric | 0.8675 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM356098
Similarity: 0.7619
Similarity to MM356098
| Tanimoto metric | 0.7619 |
|---|---|
| Cosine metric | 0.865 |
| Dice metric | 0.8649 |
| MW: | 140.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.39 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+207 more
